Thorsten Gressling

Thorsten Gressling
Bayer · Disruptive Technology

Dr. rer. nat. Dipl. Chem.

About

23
Publications
3,035
Reads
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57
Citations
Introduction
I am working at the intersection of chemistry, digitalization, and artificial intelligence. Both sides - be in the lab and in the digital sphere - create the next step of science: Digital Chemistry
Additional affiliations
October 1985 - July 1996
Christian-Albrechts-Universität zu Kiel
Position
  • Doktorand

Publications

Publications (23)
Chapter
„Die Nutzung künstlicher Intelligenz ist bei der Entwicklung neuer Therapien nicht mehr wegzudenken. KI-Ansätze werden entlang der gesamten Wertschöpfungskette angewandt – von der Auffindung und Optimierung neuer Wirkstoffe, zur Durchführung klinischer Studien bis hin zur Pharmakovigilanz, um nur einige Beispiele zu nennen.“
Method
Co-Author for the DIN Specification describing the standardization of inter-vendor speech assistants.
Research Proposal
Full-text available
IT technologies affect every domain and process within chemistry. But most digitization initiatives address just surrounding systems like logistics, customer relationships or supply chain. Still, the nucleus of the chemistry business is R&D. For that, a lot of software with different maturity levels was created in the last fifty years or is current...
Conference Paper
Full-text available
The implementation of cognitive chemometric design principles extends the observable space in daily laboratory work. Assistance systems increase coverage and lead to better reproducibility of the experiments.
Preprint
Full-text available
Artificial Intelligence technologies affect every domain and process in industry. Many solutions with different maturity levels have been created or are in development. With this paper we collect initiatives in the domain of chemical science and bring these resources together into a common process model. We define ten building blocks, analyse their...
Article
Full-text available
Many technical work places, such as laboratories or test beds, are the setting for well-defined processes requiring both high precision and extensive documentation, to ensure accuracy and support accountability that often is required by law, science, or both. In this type of scenario, it is desirable to delegate certain routine tasks, such as docum...
Conference Paper
Full-text available
In everyday life 90% of all tasks wet laboratories worldwide are repetitive manual tasks, short documentation fragments and manual inventory management. No integrated IT systems as well as seamless robotic solutions support the worker. Data integration like fieldbus or standardized exchange formats still does not exist. In the last decade several a...
Article
Single crystals of the hitherto unknown compound FeCe(WO4)3 have been prepared by crystallization from melts of Fe2O3, CeO2 and WO3. It crystallizes with triclinic symmetry, space group P1, a = 7,486(3); b = 7,528(1); c = 16,502(4) Å, α = 101,00(2); β = 96,62(3); γ = 98,62°; Z = 2. Tungsten shows octahedral and tetrahedral coordination by oxygen. T...
Article
Einkristalle der bisher unbekannten Verbindung FeCe(WO4)3 wurden aus Schmelzen von Fe2O3, CeO2 und WO3 erhalten und röntgenographisch untersucht. Sie kristallisieren mit trikliner Symmetrie, Raumgruppe P1, mit a = 7,486(3); b = 7,528(1); c = 16,502(4) Å, α = 101,00(2); β = 96,62(3); γ = 98,62(2)°, Z = 2. Wolfram ist oktaedrisch und tetraedrisch von...
Article
Full-text available
Single crystals of Ce2(WO4)3 have been prepared by crystallisation from molten mixtures of WO3 and CeO2. The compound shows monoclinic symmetry, a = 7.813(4), b = 11.720(2), c = 11.586(3), β = 109.36(3)°, Z = 4, and is isotypic to Eu2(WO4)3, but shows large differences of the atomic coordinates especially of oxygen. The crystal structure of Ce2(WO4...
Article
Die bisher unbekannte Verbindung CuDy5(WO4)8 wurde einkristallin in geschlossenen Kupferrohren dargestellt und röntgenographisch untersucht. Sie kristallisiert mit monokliner Symmetrie, Raumgruppe C—C2/c mit a = 19,118; b = 5,612; c = 11,518 Å; β = 111,32°; Z = 2. Die Kristallstruktur zeichnet sich durch [W4O18]-Baugruppen aus, die zu Schichten ver...
Article
Einkristalle von γ-CuTbW2O8 wurden in geschlossenen Kupferampullen dargestellt und röntgenographisch untersucht. γ-CuTbW2O8 kristallisiert mit trikliner Symmetrie, Raumgruppe C-P1, a = 6,722, b = 9,831, c = 15,352 Å, α = 72,82, β = 88,53, γ = 71,76°, Z = 6 und zeigt enge Verwandtschaft zu β-CuNdW2O8. Signifikanter Unterschied ist eine abwechselnde...
Article
Single crystals of two modifications of CuErW2O8 were prepared and investigated by X-ray methods. One modification is isotypic to β-CuNdW2O8. Space group . The crystal structure is characterized by chains of edge-shared WO6 octahedra and O-Cu-O dumbbells. The surrounding of Er3+ corresponds to a capped prism. The second modification is isotypic to...
Article
Single crystals of β-CuTmW2O8 (I) and β-CuLuW2O8 (II) were preparared and investigated by X-ray methods. They crystallize with monoclinic symmetry, space group C2h4-P2/n with I: . Both compounds are isotypic to β-LiYbW2O8.Zusammenfassungβ-CuTmW2O8 (I) und β-CuLuW2O8 (II) wurden einkristallin dargestellt und röntgenographisch untersucht. Beide Stoff...
Article
Kiel, Universiẗat, Diss., 1995 (Nicht für den Austausch).

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Projects

Projects (2)
Project
The next wave of performing chemistry
Project
Crystal Structures from single crystals are determined